| SpectraBase Spectrum ID |
ByWJNIRNWmL |
| Name |
1-nitro-4-(2,2,2-trifluoroethyl)benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H6F3NO2 |
| InChI |
InChI=1S/C8H6F3NO2/c9-8(10,11)5-6-1-3-7(4-2-6)12(13)14/h1-4H,5H2 |
| InChIKey |
TWBBLUSIUSNNAH-UHFFFAOYSA-N |
| Molecular Weight |
205.136 g/mol |
| SMILES |
c1(ccc(cc1)CC(F)(F)F)N(=O)=O |
| SPLASH |
splash10-000i-0920000000-e38549e561b6a66af439 |
| Source of Spectrum |
KC-0-729-4 |
| Synonyms |
1-nitro-4-[2,2,2-tris(fluoranyl)ethyl]benzene |
| Wiley ID |
780782 |
